Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.8540 CA :: 53.2510 CB :: 38.9570 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.7990 HB2 :: 2.8430 HB3 :: 2.8430 HD21 :: 7.0140 HD22 :: 7.7330 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 113.5820 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 E 0.08 M 0.07 R 0.05 C Shift Assignments>> C :: 176.3200 CA :: 56.2950 CB :: 29.2700 CG :: 33.7420 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.7050 HA :: 4.3370 HB2 :: 2.1600 HB3 :: 2.0400 HG2 :: 2.4100 HG3 :: 2.4100 HE21 :: 6.8890 HE22 :: 7.5830 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.9900 NE2 :: 112.3720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.1160 CA :: 45.1150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5400 HA2 :: 4.0000 HA3 :: 4.0000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4810 Ave N Shift Values>> N :: 109.67(3.87) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 F 0.1 N 0.09 Y 0.07 R 0.01 HN Overlap>> 1.N68 1.N68 C Shift Assignments>> C :: 175.9740 CA :: 54.4560 CB :: 41.1900 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2510 HA :: 4.6410 HB2 :: 2.7500 HB3 :: 2.6700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.7500 Ave N Shift Values>> N :: 120.65(3.86) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.21 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.0170 CA :: 53.3540 CB :: 38.9360 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5130 HA :: 4.7610 HB2 :: 2.9000 HB3 :: 2.9000 HD21 :: 6.8950 HD22 :: 7.6000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.4210 ND2 :: 111.8900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.43 C Shift Assignments>> C :: 175.8080 CA :: 55.0950 CB :: 33.0130 CG :: 37.2740 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1160 HA :: 5.4720 HB2 :: 1.9260 HB3 :: 1.9260 HG2 :: 2.2600 HG3 :: 2.1200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.9050 Ave N Shift Values>> N :: 120.67(3.48) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.6530 CA :: 60.1130 CB :: 41.3420 CG1 :: 27.2080 CG2 :: 17.6850 CD1 :: 14.1540 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9660 HA :: 4.5340 HB :: 1.8010 HG12 :: 1.5600 HG13 :: 1.2000 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5670 Ave N Shift Values>> N :: 121.46(4.28) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.0820 CA :: 57.0500 CB :: 65.4700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7730 HA :: 5.5360 HB2 :: 3.7770 HB3 :: 3.7770 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.4460 Ave N Shift Values>> N :: 116.28(3.52) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.1410 CA :: 61.2980 CB :: 33.7630 CG1 :: 21.2010 CG2 :: 21.2010 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8740 HA :: 4.1900 HB :: 1.9920 HG11 :: 0.9400 HG12 :: 0.9400 HG13 :: 0.9400 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.8960 Ave N Shift Values>> N :: 121.14(4.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 174.7850 CA :: 47.3300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1140 HA2 :: 4.0300 HA3 :: 3.7400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.9920 Ave N Shift Values>> N :: 109.67(3.87) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 Y 0.07 E 0.06 D 0.05 M 0.05 F 0.05 L 0.01 C Shift Assignments>> C :: 174.7650 CA :: 52.8780 CB :: 37.2770 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6090 HA :: 4.6880 HB2 :: 3.0940 HB3 :: 2.8560 HD21 :: 6.9980 HD22 :: 7.6370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.9080 ND2 :: 109.9940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.46 R 0.01 C Shift Assignments>> C :: 175.6530 CA :: 53.9370 CB :: 44.4380 CG :: 25.8310 CD1 :: 25.6700 CD2 :: 25.6700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2560 HA :: 5.4150 HB2 :: 1.9780 HB3 :: 1.6600 HG :: 1.7200 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.9700 HD22 :: 0.9700 HD23 :: 0.9700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5500 Ave N Shift Values>> N :: 121.86(3.9) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.33 G 0.16 C Shift Assignments>> C :: 173.3940 CA :: 55.0170 CB :: 34.5070 CG :: 27.4620 CD :: 43.1510 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1690 HA :: 5.2270 HB2 :: 1.9480 HB3 :: 1.8300 HG2 :: 1.5200 HG3 :: 1.4400 HD2 :: 3.0600 HD3 :: 2.9500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.7190 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.22 C Shift Assignments>> C :: 174.8070 CA :: 53.8160 CB :: 45.8060 CG :: 27.3340 CD1 :: 26.2600 CD2 :: 26.2600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3940 HA :: 5.3160 HB2 :: 1.8810 HB3 :: 1.6400 HG :: 1.5900 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8400 HD22 :: 0.8400 HD23 :: 0.8400 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.7430 Ave N Shift Values>> N :: 121.86(3.9) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.32 L 0.1 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.6210 CA :: 52.0440 CB :: 40.0670 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.5200 HA :: 5.4070 HB2 :: 3.1500 HB3 :: 3.0300 HD21 :: 7.7220 HD22 :: 8.5420 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.5770 ND2 :: 115.9270 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 177.9020 CA :: 64.4140 CB :: 32.2040 CG1 :: 21.5170 CG2 :: 21.5170 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7590 HA :: 4.0800 HB :: 2.2200 HG11 :: 1.0400 HG12 :: 1.0400 HG13 :: 1.0400 HG21 :: 1.0400 HG22 :: 1.0400 HG23 :: 1.0400 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.4780 Ave N Shift Values>> N :: 121.14(4.54) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.1770 CA :: 65.9220 CB :: 68.8990 CG2 :: 21.5170 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0450 HA :: 4.3400 HB :: 4.0800 HG21 :: 1.2900 HG22 :: 1.2900 HG23 :: 1.2900 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.0040 Ave N Shift Values>> N :: 115.42(4.75) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.13 G 0.09 HN Overlap>> 1.N63 1.T26 1.N63 1.T26 C Shift Assignments>> C :: 174.8020 CA :: 55.6050 CB :: 31.2250 CG :: 27.3820 CD :: 43.3100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0350 HA :: 4.1980 HB2 :: 2.0440 HB3 :: 1.1960 HG2 :: 1.7600 HG3 :: 1.6200 HD2 :: 3.2600 HD3 :: 3.1600 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.5650 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 G 0.17 R 0.14 K 0.04 C Shift Assignments>> C :: 174.3590 CA :: 56.4870 CB :: 26.2480 CG :: 27.1670 CD :: 43.7090 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8770 HA :: 3.9140 HB2 :: 1.7330 HB3 :: 0.7540(S) HG2 :: 1.3000 HG3 :: 1.3000 HD2 :: 3.0800 HD3 :: 2.9800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.4710 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 A 0.26 L 0.23 C Shift Assignments>> C :: 174.6190 CA :: 52.8540 CB :: 47.2470 CG :: 25.8160 CD1 :: 25.6700 CD2 :: 23.0780 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5650 HA :: 4.5300 HB2 :: 1.0670 HB3 :: 0.6570 HG :: 1.2200 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 HD21 :: 0.6600 HD22 :: 0.6600 HD23 :: 0.6600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.7010 Ave N Shift Values>> N :: 121.86(3.9) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.0360 CA :: 59.8710 CB :: 34.4480 CG1 :: 22.3440 CG2 :: 22.3400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4660 HA :: 5.1970 HB :: 1.7870 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6360 Ave N Shift Values>> N :: 121.14(4.54) 1.W22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.8770 CA :: 57.0670 CB :: 33.1370 CD1 :: 125.8300 CE3 :: 121.6200 CZ2 :: 114.3900 CZ3 :: 121.6700 CH2 :: 124.1000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.5960 HA :: 5.1300 HB2 :: 3.0300 HB3 :: 3.0300 HD1 :: 6.7900 HE1 :: 10.1380 HE3 :: 7.5000 HZ2 :: 7.3800 HZ3 :: 6.8600 HH2 :: 7.0100 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.7090 NE1 :: 128.5840 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.25 R 0.1 HN Overlap>> 1.V16 1.L70 1.V16 1.L70 C Shift Assignments>> C :: 177.5520 CA :: 53.4270 CB :: 43.9220 CG :: 27.1110 CD1 :: 26.2600 CD2 :: 24.6060 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8340 HA :: 5.0340 HB2 :: 1.9800 HB3 :: 1.2200 HG :: 1.5100 HD11 :: 1.0200 HD12 :: 1.0200 HD13 :: 1.0200 HD21 :: 0.9700 HD22 :: 0.9700 HD23 :: 0.9700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.4430 Ave N Shift Values>> N :: 121.86(3.9) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 174.9150 CA :: 47.2200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.4010 HA2 :: 4.1520 HA3 :: 3.8380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.5460 Ave N Shift Values>> N :: 109.67(3.87) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.13 Q 0.1 M 0.09 I 0.05 C Shift Assignments>> C :: 176.3500 CA :: 56.4000 CB :: 29.8110 CG :: 36.2460 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0510 HA :: 4.3280 HB2 :: 2.3100 HB3 :: 1.9850 HG2 :: 2.3000 HG3 :: 2.2300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.5650 Ave N Shift Values>> N :: 120.67(3.48) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N63 1.N99 1.N63 1.N99 1.R18 1.R18 C Shift Assignments>> C :: 173.2260 CA :: 62.1180 CB :: 70.3990 CG2 :: 21.7990 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1400 HA :: 4.3050 HB :: 4.5370 HG21 :: 1.3200 HG22 :: 1.3200 HG23 :: 1.3200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.5380 Ave N Shift Values>> N :: 115.42(4.75) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.22 C Shift Assignments>> C :: 177.4830 CA :: 52.4340 CB :: 17.9150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9370 HA :: 4.0900 HB1 :: 1.0500 HB2 :: 1.0500 HB3 :: 1.0500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.1830 Ave N Shift Values>> N :: 123.23(3.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 G 0.12 A 0.04 C Shift Assignments>> C :: 176.1140 CA :: 53.6060 CB :: 43.3220 CG :: 26.2490 CD1 :: 23.5360 CD2 :: 23.5360 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6630 HA :: 4.3360 HB2 :: 1.5460 HB3 :: 1.5460 HG :: 1.0900 HD11 :: 0.7400 HD12 :: 0.7400 HD13 :: 0.7400 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.1600 Ave N Shift Values>> N :: 121.86(3.9) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.29 L 0.15 F 0.08 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.7210 CA :: 53.3240 CB :: 40.3360 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6900 HA :: 4.7100 HB2 :: 2.7450 HB3 :: 2.5070 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.7150 Ave N Shift Values>> N :: 120.65(3.86) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.3 A 0.07 C Shift Assignments>> C :: 177.9440 CA :: 52.9370 CB :: 43.9800 CG :: 26.8570 CD1 :: 23.2200 CD2 :: 23.2220 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9690 HA :: 4.8310 HB2 :: 1.7500 HB3 :: 1.7500 HG :: 1.5500 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.4720 Ave N Shift Values>> N :: 121.86(3.9) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 173.6450 CA :: 60.7040 CB :: 67.8690 CG2 :: 22.1000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.8640 HA :: 4.7000 HB :: 4.8000 HG21 :: 1.3400 HG22 :: 1.3400 HG23 :: 1.3400 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.9690 Ave N Shift Values>> N :: 115.42(4.75) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6570 CA :: 66.5040 CB :: 31.9790 CG :: 28.4000 CD :: 50.7700 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2800 HB2 :: 2.3000 HB3 :: 2.3000 HG2 :: 2.0100 HG3 :: 2.0100 HD2 :: 3.8200 HD3 :: 3.7400 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.36 G 0.02 C Shift Assignments>> C :: 178.0840 CA :: 59.6650 CB :: 32.5720 CG :: 26.9200 CD :: 29.6860 CE :: 42.3400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0440 HA :: 3.9240 HB2 :: 1.5200 HB3 :: 1.1100 HG2 :: 1.2600 HG3 :: 1.2600 HD2 :: 1.5700 HD3 :: 1.4600 HE2 :: 2.9700 HE3 :: 2.9700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.4170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.32 M 0.06 K 0.02 HN Overlap>> 1.H73 1.H73 C Shift Assignments>> C :: 178.5120 CA :: 59.5440 CB :: 30.5210 CG :: 37.3310 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.3760 HA :: 3.6200 HB2 :: 2.4700 HB3 :: 2.4700 HG2 :: 2.4700 HG3 :: 2.1700 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.2720 Ave N Shift Values>> N :: 120.67(3.48) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.5970 CA :: 62.3010 CB :: 37.9340 CD1 :: 132.3800 CD2 :: 132.3800 CE1 :: 117.5900 CE2 :: 117.5900 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.9500 HA :: 3.6970 HB2 :: 2.9490 HB3 :: 2.9490 HD1 :: 6.8100 HD2 :: 6.8100 HE1 :: 6.4600 HE2 :: 6.4600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.3510 Ave N Shift Values>> N :: 120.52(4.2) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.04 C Shift Assignments>> C :: 180.0610 CA :: 55.4130 CB :: 18.0620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1470 HA :: 3.7430 HB1 :: 1.5090 HB2 :: 1.5090 HB3 :: 1.5090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9130 Ave N Shift Values>> N :: 123.23(3.54) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.23 G 0.1 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 177.7600 CA :: 57.3360 CB :: 43.0430 CG :: 26.2310 CD1 :: 26.4000 CD2 :: 26.4000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6510 HA :: 3.9100 HB2 :: 1.7600 HB3 :: 1.0700 HG :: 1.6900 HD11 :: 0.6600 HD12 :: 0.6600 HD13 :: 0.6600 HD21 :: 0.7700 HD22 :: 0.7700 HD23 :: 0.7700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.9240 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> 1.N98 1.N98 C Shift Assignments>> C :: 178.5240 CA :: 57.3970 CB :: 41.1290 CG :: 27.1930 CD1 :: 23.1370 CD2 :: 23.1370 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5500 HA :: 3.8700 HB2 :: 1.5700 HB3 :: 1.4500 HG :: 1.4800 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2320 Ave N Shift Values>> N :: 121.86(3.9) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.8540 CA :: 62.1260 CB :: 68.2270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5400 HA :: 3.7000 HB2 :: 3.4400 HB3 :: 3.2800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.0450 Ave N Shift Values>> N :: 116.28(3.52) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 L 0.23 R 0.12 C Shift Assignments>> C :: 178.7310 CA :: 58.3110 CB :: 28.5250 CG :: 25.8970 CD :: 41.5060 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.1120 HA :: 4.0100 HB2 :: 2.1400 HB3 :: 1.8700 HG2 :: 1.7200 HG3 :: 1.5700 HD2 :: 3.0000 HD3 :: 3.0000 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5210 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.01 C Shift Assignments>> C :: 180.0490 CA :: 57.8360 CB :: 42.0160 CG :: 25.9180 CD1 :: 23.1060 CD2 :: 23.1060 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9600 HA :: 3.9920 HB2 :: 1.8730 HB3 :: 1.4210 HG :: 0.5700 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 HD21 :: 0.8200 HD22 :: 0.8200 HD23 :: 0.8200 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.9390 Ave N Shift Values>> N :: 121.86(3.9) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 Q 0.16 E 0.05 C Shift Assignments>> C :: 178.7480 CA :: 59.5300 CB :: 33.4490 CG :: 33.4800 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.8250 HA :: 3.8770 HB2 :: 2.6900 HB3 :: 2.0800 HG2 :: 1.9000 HG3 :: 1.9000 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.3350 Ave N Shift Values>> N :: 120.09(3.57) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.16 K 0.01 C Shift Assignments>> C :: 176.8130 CA :: 58.4050 CB :: 32.3820 CG :: 32.3500 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.2500 HA :: 4.1370 HB2 :: 2.0800 HB3 :: 1.9300 HG2 :: 2.2000 HG3 :: 2.2000 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.0000 Ave N Shift Values>> N :: 120.09(3.57) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 A 0.02 G 0.02 C Shift Assignments>> C :: 175.2260 CA :: 52.8260 CB :: 31.4710 CG :: 24.2340 CD :: 28.2530 CE :: 42.1200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.0880 HA :: 4.6310 HB2 :: 2.1210 HB3 :: 1.4980 HG2 :: 1.4700 HG3 :: 1.4700 HD2 :: 1.7300 HD3 :: 1.6700 HE2 :: 3.0500 HE3 :: 3.0100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.7150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 L 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 178.9940 CA :: 54.6740 CB :: 19.3970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9520 HA :: 4.3190 HB1 :: 1.4950 HB2 :: 1.4950 HB3 :: 1.4950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6130 Ave N Shift Values>> N :: 123.23(3.54) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.5470 CA :: 45.4660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9440 HA2 :: 4.3780 HA3 :: 3.7500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5610 Ave N Shift Values>> N :: 109.67(3.87) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 170.4810 CA :: 55.9880 CB :: 65.0980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7590 HA :: 5.1300 HB2 :: 3.8700 HB3 :: 3.8700 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8860 Ave N Shift Values>> N :: 116.28(3.52) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.8540 CA :: 62.4460 CB :: 32.9090 CG :: 27.4220 CD :: 50.5300 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4180 HB2 :: 1.8100 HB3 :: 1.7180 HG2 :: 1.9000 HG3 :: 1.7700 HD2 :: 3.8400 HD3 :: 3.6600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.1860 CA :: 61.4590 CB :: 33.4960 CG1 :: 22.1590 CG2 :: 22.1590 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.2350 HA :: 4.4110 HB :: 2.0010 HG11 :: 1.0700 HG12 :: 1.0700 HG13 :: 1.0700 HG21 :: 1.0700 HG22 :: 1.0700 HG23 :: 1.0700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.1730 Ave N Shift Values>> N :: 121.14(4.54) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.79 H 0.19 Y 0.01 C Shift Assignments>> C :: 177.1300 CA :: 58.4530 CB :: 31.5420 CD2 :: 118.6300 CE1 :: 132.9700 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.7910 HA :: 3.5700 HB2 :: 2.8090 HD2 :: 6.0400 HE1 :: 7.6700 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.0350 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.1 G 0.09 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 176.7860 CA :: 60.0790 CB :: 30.1500 CG :: 27.4440 CD :: 42.9930 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5440 HA :: 3.8800 HB2 :: 1.8200 HB3 :: 1.5900 HG2 :: 1.4600 HG3 :: 1.4600 HD2 :: 3.1300 HD3 :: 3.1300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.6310 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.47 E 0.45 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.3340 CA :: 59.7690 CB :: 29.2280 CG :: 36.9540 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.8310(S) HA :: 4.0800 HB2 :: 2.0800 HB3 :: 2.0800 HG2 :: 2.3700 HG3 :: 2.3700 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.9640 Ave N Shift Values>> N :: 120.67(3.48) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0800 CA :: 63.1100 CB :: 37.4960 CG1 :: 28.5260 CG2 :: 16.5960 CD1 :: 12.2180 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.2390 HA :: 3.8710 HB :: 2.1600 HG12 :: 1.6900 HG13 :: 1.3400 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 HD11 :: 0.9800 HD12 :: 0.9800 HD13 :: 0.9800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.3370 Ave N Shift Values>> N :: 121.46(4.28) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.05 V 0.03 C Shift Assignments>> C :: 178.6760 CA :: 57.0740 CB :: 41.3230 CG :: 27.8210 CD1 :: 22.3630 CD2 :: 22.3630 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1980 HA :: 4.1600 HB2 :: 1.9300 HB3 :: 1.4250 HG :: 1.8600 HD11 :: 1.0300 HD12 :: 1.0300 HD13 :: 1.0300 HD21 :: 1.0300 HD22 :: 1.0300 HD23 :: 1.0300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.5020 Ave N Shift Values>> N :: 121.86(3.9) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.9870 CA :: 61.1370 CB :: 38.1070 CD1 :: 132.5800 CD2 :: 132.5800 CE1 :: 118.3300 CE2 :: 118.3300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8720 HA :: 4.1350 HB2 :: 3.1060 HB3 :: 3.1060 HD1 :: 7.1000 HD2 :: 7.1000 HE1 :: 6.8400 HE2 :: 6.8400 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.1140 Ave N Shift Values>> N :: 120.52(4.2) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 N 0.18 D 0.1 E 0.06 I 0.05 L 0.04 M 0.02 C Shift Assignments>> C :: 177.4390 CA :: 56.0130 CB :: 38.2900 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7960 HA :: 4.4850 HB2 :: 3.0200 HB3 :: 2.9400 HD21 :: 7.0350 HD22 :: 7.7470 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.7200 ND2 :: 113.0170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.17 D 0.14 K 0.13 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 177.8860 CA :: 57.0860 CB :: 40.8800 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8420 HA :: 4.5400 HB2 :: 3.0000 HB3 :: 2.3800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.5320 Ave N Shift Values>> N :: 120.65(3.86) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.9160 CA :: 61.3400 CB :: 38.8300 CG1 :: 26.0820 CG2 :: 18.9700 CD1 :: 14.9560 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.2770 HA :: 4.3000 HB :: 1.8100 HG12 :: 1.3500 HG13 :: 1.2600 HG21 :: 0.6400 HG22 :: 0.6400 HG23 :: 0.6400 HD11 :: 0.7000 HD12 :: 0.7000 HD13 :: 0.7000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 109.9750 Ave N Shift Values>> N :: 121.46(4.28) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.0370 CA :: 59.1700 CB :: 38.2770 CD1 :: 132.9700 CD2 :: 132.9700 CE1 :: 118.0100 CE2 :: 118.0100 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7880 HA :: 4.2960 HB2 :: 2.7700 HB3 :: 2.7700 HD1 :: 6.9100 HD2 :: 6.9100 HE1 :: 6.6700 HE2 :: 6.6700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.7610 Ave N Shift Values>> N :: 120.52(4.2) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2060 CA :: 57.9760 CB :: 63.8840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7210 HA :: 4.2920 HB2 :: 3.7100 HB3 :: 3.6800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3500 Ave N Shift Values>> N :: 116.28(3.52) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.7980 CA :: 57.8630 CB :: 28.8260 CD1 :: 127.2700 CE3 :: 121.0000 CZ2 :: 114.7200 CZ3 :: 121.7800 CH2 :: 124.5900 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.9900 HA :: 4.4770 HB2 :: 3.3700 HB3 :: 3.2800 HD1 :: 7.3200 HE1 :: 10.1500 HE3 :: 7.6600 HZ2 :: 7.4800 HZ3 :: 7.1600 HH2 :: 7.2200 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.1700 NE1 :: 129.3030 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.19 N 0.19 F 0.09 Y 0.07 K 0.05 C Shift Assignments>> C :: 175.5590 CA :: 53.8110 CB :: 40.7160 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9000 HA :: 4.4400 HB2 :: 2.5200 HB3 :: 2.2900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1180 Ave N Shift Values>> N :: 120.65(3.86) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.18 Y 0.08 F 0.07 L 0.05 HN Overlap>> 1.N99 1.T26 1.R18 1.N99 1.T26 1.R18 C Shift Assignments>> C :: 174.7370 CA :: 53.1580 CB :: 38.7430 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.0800 HA :: 4.5460 HB2 :: 2.8100 HB3 :: 2.7300 HD21 :: 6.8980 HD22 :: 7.5460 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.5860 ND2 :: 112.4020 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.3 M 0.16 E 0.08 R 0.01 C Shift Assignments>> C :: 174.7060 CA :: 54.7600 CB :: 29.8290 CG :: 33.8200 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2240 HA :: 4.5800 HB2 :: 2.0700 HB3 :: 1.9500 HG2 :: 2.3900 HG3 :: 2.3900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8310 Ave N Shift Values>> N :: 120.67(3.48) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.3120 CA :: 63.8240 CB :: 31.8710 CG :: 27.4040 CD :: 51.2000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3940 HB2 :: 2.2820 HB3 :: 1.9560 HG2 :: 2.0700 HG3 :: 2.0700 HD2 :: 3.8300 HD3 :: 3.7400 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 178.3520 CA :: 52.8480 CB :: 19.0860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4650 HA :: 4.3500 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7550 Ave N Shift Values>> N :: 123.23(3.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.0400 CA :: 62.5050 CB :: 69.1870 CG2 :: 21.7210 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0020 HA :: 4.2870 HB :: 4.2870 HG21 :: 1.2200 HG22 :: 1.2200 HG23 :: 1.2200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0790 Ave N Shift Values>> N :: 115.42(4.75) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.17 Y 0.07 F 0.07 L 0.04 HN Overlap>> 1.D4 1.D4 C Shift Assignments>> C :: 175.2500 CA :: 53.0360 CB :: 38.6780 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2800 HA :: 4.9790 HB2 :: 2.8400 HB3 :: 2.7600 HD21 :: 6.9180 HD22 :: 7.5700 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.7680 ND2 :: 112.6440 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.8300 CA :: 62.3280 CB :: 69.9270 CG2 :: 21.7500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6910 HA :: 4.4800 HB :: 4.3900 HG21 :: 1.3500 HG22 :: 1.3500 HG23 :: 1.3500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.2880 Ave N Shift Values>> N :: 115.42(4.75) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 K 0.02 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 177.4570 CA :: 58.6080 CB :: 41.4940 CG :: 27.2210 CD1 :: 25.3040 CD2 :: 26.8600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8430 HA :: 4.0800 HB2 :: 1.9380 HB3 :: 1.9380 HG :: 1.4800 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 1.1000 HD22 :: 1.1000 HD23 :: 1.1000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.3840 Ave N Shift Values>> N :: 121.86(3.9) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 E 0.07 HN Overlap>> 1.S47 1.S47 C Shift Assignments>> C :: 179.3050 CA :: 61.1710 CB :: 28.8280 CG :: 38.2060 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6520 HA :: 3.7050 HB2 :: 2.1700 HB3 :: 1.9690 HG2 :: 2.6100 HG3 :: 2.3800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8780 Ave N Shift Values>> N :: 120.67(3.48) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.6800 CA :: 66.1110 CB :: 31.4670 CG1 :: 22.6410 CG2 :: 20.3300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.5590 HA :: 3.6850 HB :: 1.9470 HG11 :: 0.9700 HG12 :: 0.9700 HG13 :: 0.9700 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4190 Ave N Shift Values>> N :: 121.14(4.54) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 H 0.35 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 178.6160 CA :: 60.2060 CB :: 31.2690 CD2 :: 120.6400 CE1 :: 139.5700 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.4200 HA :: 4.4600 HB2 :: 2.9730 HB3 :: 2.7500 HD2 :: 6.7500 HE1 :: 7.7900 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.2720 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 V 0.08 M 0.03 C Shift Assignments>> C :: 177.8190 CA :: 61.9430 CB :: 34.2750 CG1 :: 25.4500 CG2 :: 16.2200 CD1 :: 8.4500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5150 HA :: 3.5700 HB :: 1.9000 HG12 :: 1.3000 HG13 :: 0.2000 HG21 :: 0.4800 HG22 :: 0.4800 HG23 :: 0.4800 HD11 :: 0.1000 HD12 :: 0.1000 HD13 :: 0.1000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.9400 Ave N Shift Values>> N :: 121.46(4.28) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 H 0.39 C Shift Assignments>> C :: 177.4450 CA :: 60.1160 CB :: 28.8120 CD2 :: 120.1900 CE1 :: 137.9100 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1890 HA :: 4.2700 HB2 :: 3.5400 HB3 :: 3.3170 HD2 :: 7.0000 HE1 :: 7.7000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.4840 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 E 0.22 Y 0.2 F 0.14 M 0.08 D 0.04 I 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 178.6150 CA :: 55.5050 CB :: 37.3090 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4560 HA :: 4.3890 HB2 :: 3.1300 HB3 :: 2.8760 HD21 :: 6.8170 HD22 :: 8.1940 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0980 ND2 :: 111.9150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.14 G 0.08 C Shift Assignments>> C :: 178.9450 CA :: 57.9960 CB :: 43.1060 CG :: 27.3610 CD1 :: 25.0900 CD2 :: 25.0920 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5790 HA :: 3.9510 HB2 :: 1.9090 HB3 :: 1.3000 HG :: 1.7600 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8400 HD22 :: 0.8400 HD23 :: 0.8400 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5170 Ave N Shift Values>> N :: 121.86(3.9) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 R 0.37 K 0.06 C Shift Assignments>> C :: 178.7660 CA :: 59.4350 CB :: 30.8340 CG :: 25.1340 CD :: 44.1070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6870 HA :: 3.6600 HB2 :: 1.7100 HB3 :: 1.7100 HG2 :: 1.6700 HG3 :: 1.3000 HD2 :: 3.3200 HD3 :: 3.1300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.5210 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.17 K 0.12 Q 0.07 M 0.03 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 178.2260 CA :: 58.6660 CB :: 29.5510 CG :: 36.1940 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7170 HA :: 3.9290 HB2 :: 2.0890 HB3 :: 2.0890 HG2 :: 2.2200 HG3 :: 2.0400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8820 Ave N Shift Values>> N :: 120.67(3.48) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.27 G 0.02 C Shift Assignments>> C :: 178.4130 CA :: 59.0610 CB :: 34.4380 CG :: 26.5950 CD :: 30.5260 CE :: 42.3000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4190 HA :: 4.2520 HB2 :: 1.8800 HB3 :: 1.7600 HG2 :: 1.4200 HG3 :: 1.4200 HD2 :: 1.8500 HD3 :: 1.8500 HE2 :: 3.0200 HE3 :: 3.0200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.5740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.9860 CA :: 61.1460 CB :: 39.2120 CG1 :: 24.4870 CG2 :: 17.6660 CD1 :: 14.6550 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1620 HA :: 4.6840 HB :: 2.1420 HG12 :: 1.4800 HG13 :: 1.2700 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 108.3930 Ave N Shift Values>> N :: 121.46(4.28) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.4190 CA :: 44.8560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8520 HA2 :: 4.6260 HA3 :: 3.6670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6360 Ave N Shift Values>> N :: 109.67(3.87) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 G 0.01 HN Overlap>> 1.R51 1.R51 C Shift Assignments>> C :: 178.1770 CA :: 59.9220 CB :: 32.3660 CG :: 24.9500 CD :: 29.6140 CE :: 41.9540 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5110 HA :: 3.7300 HB2 :: 1.8690 HB3 :: 1.8690 HG2 :: 1.4600 HG3 :: 1.4600 HD2 :: 1.7200 HD3 :: 1.5200 HE2 :: 3.0400 HE3 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.7320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0080 CA :: 58.9350 CB :: 63.1400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4380 HA :: 4.3460 HB2 :: 4.0000 HB3 :: 3.9300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.8520 Ave N Shift Values>> N :: 116.28(3.52) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.25 G 0.03 C Shift Assignments>> C :: 176.2080 CA :: 57.1560 CB :: 30.3880 CG :: 27.6200 CD :: 42.7300 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6560 HA :: 4.2300 HB2 :: 1.8560 HB3 :: 1.8560 HG2 :: 1.6700 HG3 :: 1.5000 HD2 :: 3.3200 HD3 :: 3.1900 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.5610 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.5730 CA :: 59.4610 CB :: 39.1880 CG1 :: 27.8740 CG2 :: 17.7530 CD1 :: 13.9950 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.8800 HA :: 4.8950 HB :: 1.5390 HG12 :: 1.6000 HG13 :: 1.6000 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 HD11 :: 0.6800 HD12 :: 0.6800 HD13 :: 0.6800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.2000 Ave N Shift Values>> N :: 121.46(4.28) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.17 G 0.08 C Shift Assignments>> C :: 176.5010 CA :: 53.6640 CB :: 32.0110 CG :: 26.7390 CD :: 42.9310 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.7860 HA :: 4.7970 HB2 :: 1.8990 HB3 :: 1.6930 HG2 :: 1.6400 HG3 :: 1.6400 HD2 :: 3.1900 HD3 :: 3.1900 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.7270 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.8020 CA :: 63.5140 CB :: 68.9080 CG2 :: 22.5220 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.4210 HA :: 4.1380 HB :: 4.1380 HG21 :: 1.0900 HG22 :: 1.0900 HG23 :: 1.0900 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.8210 Ave N Shift Values>> N :: 115.42(4.75) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.3780 CB :: 30.8860 CG1 :: 20.0200 CG2 :: 20.0200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4000 HA :: 4.1800 HB :: 1.6400 HG11 :: 0.7400 HG12 :: 0.7400 HG13 :: 0.7400 HG21 :: 0.7400 HG22 :: 0.7400 HG23 :: 0.7400 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.4000 Ave N Shift Values>> N :: 121.14(4.54) 1.R90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.5300 CA :: 45.5250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.1470 HA3 :: 3.7730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.81 G 0.18 C Shift Assignments>> C :: 174.7440 CA :: 60.0540 CB :: 43.4330 CD1 :: 131.5000 CD2 :: 131.5000 CE1 :: 131.4500 CE2 :: 131.4500 CZ :: 130.1700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.3320 HA :: 4.4410 HB2 :: 2.8000 HB3 :: 2.6640 HD1 :: 7.0200 HD2 :: 7.0200 HE1 :: 7.2700 HE2 :: 7.2700 HZ :: 7.4400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.6010 Ave N Shift Values>> N :: 120.45(4.18) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 171.7760 CA :: 46.7150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3770 HA2 :: 4.7300 HA3 :: 3.4790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.4450 Ave N Shift Values>> N :: 109.67(3.87) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 G 0.48 C Shift Assignments>> C :: 172.8890 CA :: 57.3690 CB :: 44.0520 CD1 :: 132.3200 CD2 :: 132.3200 CE1 :: 118.7100 CE2 :: 118.7100 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4750 HA :: 5.4300 HB2 :: 2.8500 HB3 :: 2.3200 HD1 :: 6.7900 HD2 :: 6.7900 HE1 :: 6.8100 HE2 :: 6.8100 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.4710 Ave N Shift Values>> N :: 120.52(4.2) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 I 0.26 M 0.23 K 0.08 L 0.06 C Shift Assignments>> C :: 173.4380 CA :: 54.1250 CB :: 39.3640 CG :: 30.3600 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.9360 HA :: 4.8900 HB2 :: 1.7290 HB3 :: 1.5800 HG2 :: 2.1100 HG3 :: 1.9700 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.6430 Ave N Shift Values>> N :: 120.09(3.57) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.32 G 0.3 C Shift Assignments>> C :: 174.9120 CA :: 53.4820 CB :: 43.7560 CG :: 27.6630 CD1 :: 27.6600 CD2 :: 25.3570 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.8480 HA :: 5.0800 HB2 :: 1.8000 HB3 :: 1.2100 HG :: 1.7100 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.7700 HD22 :: 0.7700 HD23 :: 0.7700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.1940 Ave N Shift Values>> N :: 121.86(3.9) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 L 0.01 C Shift Assignments>> C :: 176.5600 CA :: 51.8950 CB :: 20.0110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6810 HA :: 4.3360 HB1 :: 1.4160 HB2 :: 1.4160 HB3 :: 1.4160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.1680 Ave N Shift Values>> N :: 123.23(3.54) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.19 F 0.05 Y 0.05 L 0.04 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 174.9390 CA :: 52.4290 CB :: 38.9120 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6540 HA :: 4.6800 HB2 :: 2.7800 HB3 :: 2.6300 HD21 :: 6.8880 HD22 :: 7.6140 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.2680 ND2 :: 110.9070 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.22 F 0.07 Y 0.07 L 0.06 HN Overlap>> 1.N63 1.N63 1.T26 1.T26 C Shift Assignments>> C :: 174.7440 CA :: 53.0480 CB :: 39.0390 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1310 HA :: 4.8000 HB2 :: 2.8000 HB3 :: 2.8000 HD21 :: 6.9140 HD22 :: 7.6690 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.4880 ND2 :: 113.2660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7690 CA :: 61.0040 CB :: 38.6790 CG1 :: 26.9280 CG2 :: 17.7530 CD1 :: 13.3380 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1390 HA :: 4.2400 HB :: 1.9110 HG12 :: 1.4100 HG13 :: 1.1300 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.8810 Ave N Shift Values>> N :: 121.46(4.28) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 F 0.1 N 0.09 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.2100 CA :: 54.5130 CB :: 41.2210 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4260 HA :: 4.7200 HB2 :: 2.7600 HB3 :: 2.6600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.5160 Ave N Shift Values>> N :: 120.65(3.86) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7330 CA :: 61.4770 CB :: 69.7880 CG2 :: 21.5270 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0450 HA :: 4.3600 HB :: 4.3000 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3580 Ave N Shift Values>> N :: 115.42(4.75) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.21 I 0.05 Q 0.03 K 0.01 C Shift Assignments>> C :: 181.0700 CA :: 58.2510 CB :: 31.2390 CG :: 36.6000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0440 HA :: 4.1400 HB2 :: 2.0800 HB3 :: 1.9300 HG2 :: 2.2400 HG3 :: 2.2400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.0310 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 0 C Shift Results: #Consistent: 460 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 735 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R19 HB3 = 0.7540(S), Expected = 1.76, Std = 0.2800, ChiSquare = 3.2707e-04 1.E52 H = 10.8310(S), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2453e-05